Tuning the polarized quantum phonon transmission in graphene nanoribbons

We propose systems that allow a tuning of the phonon transmission function T($\omega$) in graphene nanoribbons by using C$^{13}$ isotope barriers, antidot structures, and distinct boundary conditions. Phonon modes are obtained by an interatomic fifth-nearest neighbor force-constant model (5NNFCM) and T($\omega$) is calculated using the non-equilibrium Green's function formalism. We show that by imposing partial fixed boundary conditions it is possible to restrict contributions of the in-plane phonon modes to T($\omega$) at low energy. On the contrary, the transmission functions of out-of-plane phonon modes can be diminished by proper antidot or isotope arrangements. In particular, we show that a periodic array of them leads to sharp dips in the transmission function at certain frequencies $\omega_{\nu}$ which can be pre-defined as desired by controlling their relative distance and size. With this, we demonstrated that by adequate engineering it is possible to govern the magnitude of the ballistic transmission functions T$(\omega)$ in graphene nanoribbons. We discuss the implications of these results in the design of controlled thermal transport at the nanoscale as well as in the enhancement of thermo-electric features of graphene-based materials

The role of atomic vacancies and boundary conditions on ballistic thermal transport in graphene nanoribbons

Quantum thermal transport in armchair and zig-zag graphene nanoribbons are investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and energy dispersions as given by a fifth-nearest-neighbor force-constant model (5NNFCM) and by elasticity theory of continuum membranes (ETCM). For free-edges ribbons we discuss the behavior of an additional acoustic edge-localized flexural mode, known as fourth acoustic branch (4ZA), which has a small gap when it is obtained by the 5NNFCM. Then, we show that ribbons with supported-edges have a sample-size dependent energy gap in the phonon spectrum which is particularly large for in-plane modes. Irrespective to the calculation method and the boundary condition, the dependence of the energy gap for the low-energy optical phonon modes against the ribbon width W is found to be proportional to 1/W for in-plane, and 1/W$^2$ for out-of-plane phonon modes. Using the 5NNFCM, the ballistic thermal conductance and its contributions from every single phonon mode are then obtained by the non equilibrium Green's function technique. We found that, while edge and central localized single atomic vacancies do not affect the low-energy transmission function of in-plane phonon modes, they reduce considerably the contributions of the flexural modes. On the other hand, in-plane modes contributions are strongly dependent on the boundary conditions and at low temperatures can be highly reduced in supported-edges samples. These findings could open a route to engineer graphene based devices where it is possible to discriminate the relative contribution of polarized phonons and to tune the thermal transport on the nanoscale

Environmental assessment of humic acid coated magnetic materials used as catalyst in photo-fenton processes

Persistent organic pollutants have been increasingly detected in natural waters, and this represents a real challenge to the quality of this resource. To remove these species, advanced treatment technologies are required. Among these technologies, Fenton-like and photo-Fenton-like processes have been investigated for the removal of pollutants from water. Delicate aspects of photo-Fenton processes are that light-driven processes are energy intensive and require a fair amount of chemical inputs, which strongly affects their overall environmental burdens. At present, aside from determining the efficiency of the processes to remove pollutants of a particular technology, it becomes fundamental to assess also the environmental sustainability of the overall process. In this work, the methodology of the life cycle assessment (LCA) was applied to identify the hotspots of using magnetite particles covered with humic acid (Fe3O4/HA) as a heterogeneous photo-Fenton catalyst for water remediation. The sustainability of the overall process was considered, and a comparative LCA study was performed between H2O2 and persulfate activation at different pH. The addition of humic substances to the particles allows the effectiveness of the catalyst to improve without increasing the environmental impacts; these processes are strongly correlated with energy consumption and therefore with the efficiency of the process. For this reason, working at acidic pH allows us to contain the impacts

Treatment of esophageal achalasia in children: Today and tomorrow

Esophageal achalasia (EA) is a rare esophageal motility disorder in children. Laparoscopic Heller myotomy (LHM) represents the treatment of choice in young patients. Peroral endoscopic myotomy (POEM) is becoming an alternative to LHM. The aim of this study is to evaluate the effectiveness, safety, and outcomes of POEM vs LHM in treatment of children with EA. Data of pediatric patients with EA, who underwent LHM and POEM from February 2009 to December 2013 in two centers, were collected. Eighteen patients (9 male, mean age: 11.6 years; range: 2-17 years) were included. Nine patients (6 male, mean age: 10.7 years; range: 2-16 years) underwent LHM, and the other 9 (3 males, mean age: 12.2 years; range: 6-17 years) underwent POEM procedure. Mean operation time was shorter in POEM group compared with LHM group (62/149 minutes). Myotomy was longer in POEM group than in LHM group (11/7 cm). One major complication occurred after LHM (esophageal perforation). No clinical and manometric differences were observed between LHM and POEM in follow-up. The incidence of iatrogenic gastroesophageal reflux disease was low (1 patient in both groups). Results of a midterm follow-up show that LHM and POEM are safe and effective treatments also in children. Besides, POEM is a mini-invasive technique with an inferior execution timing compared to LHM. A skilled endoscopic team is mandatory to perform this procedur

Analysis of particle size distribution in municipal wastewaters

Innovative membrane filtration plants for municipal wastewaters are being developed and need the support of reliable filtration models in the designing phase. In the past, semi-empirical filtration models for membrane processes have been proposed. At present, the most prominent works point out the importance of particle poly-dispersity in the development of reliable models but fail into the implementation of probability density functions (PDFs) capable of an accurate fitting of the experimental particle size distribution (PSD). We report the experimental PSDs of two different municipal wastewater samples, obtained through the laser diffraction technique. The experimental results show that the laser diffraction technique can characterize wastewater particle dimensions both in the colloidal and supra-colloidal regions. The experimental study is complemented by a comparative analysis in which many PDFs are used to fit the experimental PSDs through a least-squares approach. Some of these PDFs are proposed here for the first time to fit experimental wastewater PSDs. Among the PDFs considered for the statistical modeling, the three-parameter lognormal and the Burr PDFs are demonstrated to provide satisfactory fitting, whereas the other considered functions fail. This result is confirmed by the analysis of both the available wastewater samples

Reinforced Concrete Building with IED Detonation: Test and Simulation

There is growing concern about the possibility of a suicide bomber being immolated when the army forces or the law enforcement agencies discover the place where they prepare their material or simply find themselves inside a building. To study the possible effects that these improvised explosive devices (IEDs) would have on the structures, eight tests were carried out with various configurations of IEDs with vest bombs inside a reinforced concrete (including walls and roof) building constructed ad hoc for these tests. These vests were made with different explosives (black powder, ANFO, AN/AL, PG2). For the characterization of these tests, a high-speed camera and pressure and acceleration sensors were used. The structure behaved surprisingly well, as it withstood all the first seven detonations without apparent structural damage. In the last detonation, located on the ground and with a significant explosive charge, the structural integrity of the roof and some of the walls was compromised. The simulation of the building was carried out with the LS-DYNA software with a Lagrangian formulation for the walls, using the LBE (based on CONWEP) module for the application of the charge. Despite the difficulty of this simulation, the results obtained, in terms of applied pressures and measured accelerations, are acceptable with differences of about 20%